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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM21019'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM21019
PNG
(Bifunctional Peptide Ligand, 3 (TY006) | H-Tyr-D-A...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C56H63F6N9O10/c1-31(2)20-43(52(78)70-45(25-36-27-64-42-13-8-7-12-40(36)42)54(80)81-30-35-21-37(55(57,58)59)26-38(22-35)56(60,61)62)69-53(79)46-14-9-19-71(46)48(74)29-66-51(77)44(24-33-10-5-4-6-11-33)68-47(73)28-65-49(75)32(3)67-50(76)41(63)23-34-15-17-39(72)18-16-34/h4-8,10-13,15-18,21-22,26-27,31-32,41,43-46,64,72H,9,14,19-20,23-25,28-30,63H2,1-3H3,(H,65,75)(H,66,77)(H,67,76)(H,68,73)(H,69,79)(H,70,78)/t32-,41+,43+,44+,45+,46+/m1/s1
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Similars
Article
PubMed
 36 -42.5n/an/a 50n/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...

J Med Chem 50: 2779-86 (2007)


Article DOI: 10.1021/jm061369n
BindingDB Entry DOI: 10.7270/Q2SF2TG6
More data for this
Ligand-Target Pair